N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide

C18H22N2O3S2 — CID 9107906

IUPACN-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CSc2ccccc2)c1
InChIInChI=1S/C18H22N2O3S2/c1-18(2,3)20-25(22,23)16-11-7-8-14(12-16)19-17(21)13-24-15-9-5-4-6-10-15/h4-12,20H,13H2,1-3H3,(H,19,21)
InChIKeyWZUKIYIZCISQRG-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.49
Rot. Bonds6

About N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide

N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide (PubChem CID 9107906) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
PubChem CID9107906
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CSc2ccccc2)c1
InChIInChI=1S/C18H22N2O3S2/c1-18(2,3)20-25(22,23)16-11-7-8-14(12-16)19-17(21)13-24-15-9-5-4-6-10-15/h4-12,20H,13H2,1-3H3,(H,19,21)
InChIKeyWZUKIYIZCISQRG-UHFFFAOYSA-N
XLogP3.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 9108470
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 9108286
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide
CID 18907338
(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9108359
N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56538153
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 8947661
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 9108432
N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 21435947
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119270879
N-[3-(tert-butylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 9108242
3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide
CID 9020862

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide (CID 9107906) is N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CSc2ccccc2)c1.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
The InChIKey is WZUKIYIZCISQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-18(2,3)20-25(22,23)16-11-7-8-14(12-16)19-17(21)13-24-15-9-5-4-6-10-15/h4-12,20H,13H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide has a molecular weight of 378.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 9107906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).